NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9504 8.1976 109.7367 45.4044 0.0000 174.6087 3 S 4.7860 7.7433 111.5919 56.5371 63.6576 173.6870 4 M 5.0368 8.8402 119.0377 56.7083 32.4768 177.3866 5 E 4.8449 7.8394 116.7484 55.2252 31.9118 177.1702 6 S 4.2506 8.6242 117.5718 62.3982 62.5413 176.9711 7 T 3.8668 8.4321 119.7957 66.0349 68.1732 176.5354 8 Q 3.9692 8.6590 121.7453 59.0957 28.8145 178.3062 9 Q 3.9479 8.0534 118.3515 59.2141 29.1728 178.0516 10 M 4.1463 8.1578 118.8844 58.6330 32.2549 177.9447 11 A 4.0110 8.3452 121.2523 55.3619 18.5172 179.8446 12 V 3.6746 7.9373 116.7000 65.7400 31.4779 178.1402 13 S 4.3264 8.0143 113.2742 60.6588 62.6529 176.5873 14 I 3.7658 7.6493 124.3790 64.3827 36.9325 178.2651 15 I 3.9672 7.6979 120.0796 64.6706 37.1640 178.1743 16 N 4.4626 8.6237 117.7393 56.5202 38.3063 177.8149 17 S 4.1884 8.3798 116.8993 61.5129 62.8772 176.8692 18 S 4.0839 7.9129 118.1282 61.5811 62.6193 176.4847 19 F 3.3119 7.8476 123.1422 61.1062 39.0031 177.0738 20 E 3.5527 8.2401 117.9132 58.9907 29.1136 179.1610 21 A 3.9161 8.0148 121.0082 54.7249 18.3296 179.6268 22 A 3.7192 7.4860 119.3994 55.1853 18.3877 179.8550 23 V 3.1577 6.8877 116.7006 65.9957 31.4000 178.2635 24 V 3.5211 7.5320 117.5060 65.9634 31.2829 177.5021 25 A 3.8964 8.0476 120.2689 55.2289 18.3235 179.2578 26 A 3.8128 7.9574 118.9363 55.5624 18.5387 179.8950 27 T 3.0553 7.8747 108.2835 64.8008 68.7255 176.4498 28 S 4.0780 8.3145 116.0443 60.8987 62.2877 175.9948 29 A 3.9801 8.2272 123.7973 55.2665 18.2235 179.6836 30 L 3.9871 7.7292 117.2555 57.6881 41.5310 179.4125 31 E 4.1212 8.2442 119.4360 59.5103 29.4798 178.6537 32 N 4.4235 8.1464 114.7449 55.8143 38.6706 176.4811 33 M 4.3154 7.6697 118.4352 55.4723 32.4705 177.3404 34 G 3.9882 8.2101 107.5850 45.1687 0.0000 173.8870 35 I 3.8970 7.4703 123.5120 61.4288 37.5233 176.6065 36 E 4.1532 8.6562 122.0470 56.1095 30.2536 172.1019 37 Y 4.8616 7.4844 118.5421 54.6821 41.2074 173.8441 38 D 4.8787 8.6717 118.8514 52.3550 43.2136 175.2137 39 Y 4.3586 9.0805 130.5711 62.0582 38.7164 178.8665 40 Q 4.1289 8.3731 120.6778 60.1687 28.1056 179.9907 41 D 4.5131 8.1669 118.7773 57.5648 41.4108 178.3955 42 I 3.6289 7.8628 120.3566 64.3479 37.0424 177.6257 43 Y 3.7538 8.1306 120.7505 60.9217 38.6219 178.3950 44 S 4.3189 8.5681 114.1014 61.4387 62.5769 176.3648 45 R 3.9732 8.2533 121.0385 59.0198 29.8023 179.1132 46 V 3.5821 7.8473 118.0940 65.8233 31.5374 177.8915 47 K 4.0143 8.1728 119.3676 59.6348 31.9331 178.2523 48 N 4.3395 8.2701 116.6289 56.3112 38.5110 177.2893 49 K 3.9532 7.9856 120.2387 59.4895 32.4052 178.4967 50 F 4.1449 8.7559 121.2680 61.6375 39.3701 176.7529 51 D 4.3344 8.8547 118.7455 57.2827 40.3603 178.6876 52 F 3.9945 7.8949 119.9323 61.1560 39.5128 177.1726 53 V 3.6891 7.7949 118.9919 66.9769 31.2353 178.1402 54 M 4.0612 7.7827 119.7492 58.0043 31.6605 178.0522 55 D 4.6274 7.7742 121.0983 53.5450 41.8626 177.1844 56 D 5.4237 7.0529 123.8714 52.0084 41.7564 178.0866 57 S 4.7856 7.7042 120.3172 58.0905 65.0659 178.9726 58 G 3.8207 7.8193 110.3063 45.5272 0.0000 173.8271 59 V 4.4138 6.6848 120.1639 59.1904 30.2129 174.2735 60 K 4.4642 7.4068 134.4765 56.2687 34.6187 175.9022 61 N 4.3124 7.6159 116.8108 56.5211 38.8192 176.1610 62 N 4.2404 8.1755 118.3572 56.2261 39.1709 174.9894 63 P 4.2287 0.0000 0.0000 65.7594 31.4333 178.6153 64 I 3.8143 8.2765 119.0228 64.2139 37.0070 178.5852 65 G 3.6815 8.2215 106.5879 47.8715 0.0000 175.7683 66 K 3.9585 8.0800 121.0421 59.0935 32.0411 179.2815 67 A 4.0170 8.0619 120.9217 55.3463 18.2507 179.7995 68 I 3.7558 8.1213 118.6592 64.6254 37.2202 178.8106 69 T 3.9087 7.9536 116.8704 66.5434 68.1521 176.8936 70 I 3.7552 7.8472 121.8125 64.4864 37.1741 178.1295 71 D 4.3580 8.4782 120.1493 57.3724 40.3527 179.0134 72 Q 3.9265 7.8748 117.4654 58.8717 28.8590 178.1646 73 A 4.1529 7.5296 119.7150 55.3317 18.5018 179.3350 74 L 4.0613 7.8687 116.0521 57.1798 42.3473 178.2508 75 N 4.4214 8.0234 116.4855 53.0512 39.3085 174.6890 *90 D 4.6974 8.0845 118.8692 53.9121 40.4937 174.4168 91 T 4.4687 7.6421 111.5869 64.2701 70.1145 176.6528 92 S 4.0776 8.2979 116.5160 61.5267 63.2225 176.2775 93 R 3.8246 8.2635 121.9663 58.0402 29.7646 175.0637 94 P 4.5939 0.0000 0.0000 61.6588 30.3087 174.2277 95 A 4.4610 7.9879 135.0000 52.5256 21.7874 179.0017 96 K 4.0115 7.3908 115.0115 59.6975 32.1983 179.7291 97 L 4.1675 7.8209 118.7702 57.6139 41.1940 179.1464 98 D 4.3158 7.9103 117.6783 57.4745 41.3056 177.9985 99 E 4.0092 8.5137 119.5122 59.5651 29.4016 179.1448 100 D 4.4239 8.5114 119.3996 57.0641 40.7887 178.9650 101 V 3.5959 7.7139 118.6598 66.0104 31.6232 177.8357 102 N 4.3100 7.8713 116.0306 56.1134 38.3925 177.3130 103 K 3.9099 8.0266 120.9111 59.6431 32.3629 178.8706 104 L 4.0162 8.3306 119.6510 57.8029 41.4160 179.7904 105 R 3.9260 8.0277 118.0741 59.5527 29.9281 179.0724 106 M 4.0757 7.9905 118.2888 58.4928 31.7059 178.7529 107 M 4.0484 7.9407 117.8642 58.3591 32.4814 178.5185 108 L 4.1190 7.8468 119.0105 57.8689 41.8681 179.2856 109 S 4.3432 8.6219 115.0211 60.8999 62.0457 176.5232 110 S 4.2703 8.3344 117.9987 61.5082 62.7347 176.2958 111 K 4.3619 7.8628 125.1201 56.8092 31.7778 181.7129 112 G 4.1385 8.0825 106.8337 46.3183 0.0000 174.5539 113 I 4.1699 7.3224 122.0345 59.4630 36.4278 175.1609 114 D 4.6856 8.0303 126.7401 52.2054 42.0291 176.6935 115 Q 4.0369 8.6722 119.4894 60.1086 28.4926 178.9845 116 K 3.8838 8.1442 125.4140 59.8620 31.6175 180.3629 117 M 4.2766 8.0606 119.5091 58.2365 32.0156 179.1839 118 R 3.9111 7.9975 118.0653 59.1924 30.3683 179.2498 119 V 3.5754 8.3775 118.2226 66.0846 31.5531 178.0978 120 L 4.1893 7.8502 118.3253 57.9825 41.3068 179.1030 121 N 4.3926 8.2486 115.5303 56.3505 38.9257 176.2048 122 A 4.2336 7.8437 120.7688 53.8877 19.2265 178.3009 123 C 4.1141 7.7107 115.1896 58.8377 28.7740 173.1691 124 F 5.4997 7.6397 118.3032 55.7073 43.0803 174.0479 125 S 4.9385 8.9692 116.5829 56.6052 65.5512 173.0782 126 V 5.0475 8.5667 124.3000 61.7401 34.3193 175.1653 127 K 4.7965 8.9760 129.9817 53.2250 35.6917 175.4597 128 R 3.6946 8.8324 118.9721 59.6188 29.4543 175.1792 129 I 3.1593 6.9727 127.1253 60.0079 34.7744 173.7626 130 P 3.5974 0.0000 0.0000 62.7586 32.3763 178.7272 131 G 3.9792 9.1086 114.0904 45.2154 0.0000 173.2856 132 K 4.5793 7.5563 114.9424 55.2707 37.2914 177.2754 133 S 4.7103 8.2554 115.5549 56.6349 62.2138 171.9508 134 S 4.6608 7.2117 113.4998 58.5196 66.3494 174.7111 135 S 5.1527 8.6184 117.0400 57.6192 66.8718 174.3750 136 I 4.4907 8.6827 121.8958 58.9854 37.7385 175.5349 137 I 4.9670 8.5280 130.5130 59.1914 39.3377 176.0293 138 K 4.8310 8.8963 129.1179 53.4049 36.0757 172.9479 139 C 4.6586 8.9666 122.5468 59.5329 28.7743 173.8418 140 T 4.3620 7.8993 113.3794 60.4131 71.0327 175.6586 141 K 4.0524 8.5599 119.5438 59.5627 31.8013 179.4709 142 L 3.9514 7.7444 119.0651 57.8073 41.4879 179.0395 143 M 3.8486 7.7090 117.6683 58.6174 32.2215 178.1570 144 R 3.8854 7.7747 118.0863 59.6126 30.0190 178.8351 145 D 4.3522 7.8757 117.4652 57.0684 40.9513 178.6882 146 K 4.1345 7.7620 119.0458 59.2721 31.8149 179.3508 147 L 4.0617 8.0675 121.2337 58.4196 41.6912 179.7694 148 E 4.1970 8.2998 116.4372 59.1909 29.7254 178.9201 149 R 4.4848 8.5160 114.0637 56.4608 32.1163 176.8986 150 G 4.1192 8.5948 109.9202 45.4516 0.0000 173.0143 151 E 4.6085 8.6743 122.5083 54.5335 33.4280 173.0205 152 V 3.8301 8.5987 124.4838 60.4268 32.4589 173.3869 153 E 4.3318 8.7056 119.5627 55.2403 29.7274 173.5678 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 G 8.20 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.74 4.79 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.84 5.04 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 5 E 7.84 4.84 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 6 S 8.62 4.25 0.00 4.03 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.43 3.87 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 Q 8.66 3.97 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 Q 8.05 3.95 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 10 M 8.16 4.15 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.72 0.00 11 A 8.35 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.94 3.67 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.99 0.00 0.00 13 S 8.01 4.33 0.00 4.13 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.65 3.77 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 0.95 0.00 0.00 15 I 7.70 3.97 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 1.13 0.00 0.00 16 N 8.62 4.46 0.00 2.81 2.94 0.00 0.00 7.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.38 4.19 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.91 4.08 0.00 4.15 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.85 3.31 0.00 2.22 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.24 3.55 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 21 A 8.01 3.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.49 3.72 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 6.89 3.16 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 -0.06 0.00 0.00 24 V 7.53 3.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 25 A 8.05 3.90 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.96 3.81 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.87 3.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 28 S 8.31 4.08 0.00 4.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.73 3.99 0.00 1.58 1.81 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.24 4.12 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 32 N 8.15 4.42 0.00 2.89 2.88 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 7.67 4.32 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.55 0.00 34 G 8.21 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.47 3.90 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.99 0.00 0.00 36 E 8.66 4.15 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 37 Y 7.48 4.86 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.67 4.88 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.08 4.36 0.00 3.29 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.37 4.13 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 41 D 8.17 4.51 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.86 3.63 1.64 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.56 0.68 0.00 0.00 43 Y 8.13 3.75 0.00 2.63 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.57 4.32 0.00 4.15 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.25 3.97 0.00 2.03 1.95 0.00 3.30 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 46 V 7.85 3.58 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.78 0.00 0.00 47 K 8.17 4.01 0.00 2.01 1.99 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.23 7.81 48 N 8.27 4.34 0.00 3.06 2.89 0.00 0.00 6.71 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.99 3.95 0.00 1.94 2.02 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 50 F 8.76 4.14 0.00 3.25 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.85 4.33 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.89 3.99 0.00 3.08 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.79 3.69 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.12 0.00 0.00 54 M 7.78 4.06 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 55 D 7.77 4.63 0.00 2.52 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.05 5.42 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.70 4.79 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 6.68 4.41 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.87 0.00 0.00 60 K 7.41 4.46 0.00 1.74 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.19 7.81 61 N 7.62 4.31 0.00 2.83 2.75 0.00 0.00 6.78 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.18 4.24 0.00 2.94 2.76 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.23 0.00 2.29 2.08 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 64 I 8.28 3.81 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 0.91 0.00 0.00 65 G 8.22 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.08 3.96 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.45 1.69 7.81 67 A 8.06 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.12 3.76 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.91 0.00 0.00 69 T 7.95 3.91 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 70 I 7.85 3.76 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.91 0.00 0.00 71 D 8.48 4.36 0.00 2.66 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.87 3.93 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 73 A 7.53 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.87 4.06 0.00 1.77 1.75 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.02 4.42 0.00 2.87 2.73 0.00 0.00 6.77 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 D 8.08 4.70 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.64 4.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 92 S 8.30 4.08 0.00 4.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.26 3.82 0.00 1.91 1.98 0.00 3.09 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 94 P 0.00 4.59 0.00 2.22 2.08 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 95 A 7.99 4.46 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.39 4.01 0.00 1.92 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.64 7.81 97 L 7.82 4.17 0.00 1.70 1.72 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.91 4.32 0.00 2.75 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.51 4.01 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 100 D 8.51 4.42 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.71 3.60 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.03 0.00 0.00 102 N 7.87 4.31 0.00 2.97 2.85 0.00 0.00 6.69 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.03 3.91 0.00 1.86 1.98 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.50 7.81 104 L 8.33 4.02 0.00 1.69 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.03 3.93 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 106 M 7.99 4.08 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.56 0.00 107 M 7.94 4.05 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 108 L 7.85 4.12 0.00 1.86 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.62 4.34 0.00 3.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.33 4.27 0.00 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.86 4.36 0.00 1.89 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.32 7.81 112 G 8.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.32 4.17 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.92 0.00 0.00 114 D 8.03 4.69 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.67 4.04 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 116 K 8.14 3.88 0.00 1.78 1.88 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.12 7.81 117 M 8.06 4.28 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 118 R 8.00 3.91 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 119 V 8.38 3.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.98 0.00 0.00 120 L 7.85 4.19 0.00 1.90 1.83 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.25 4.39 0.00 2.79 2.93 0.00 0.00 7.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.84 4.23 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 C 7.71 4.11 0.00 2.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 7.64 5.50 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.97 4.94 0.00 3.92 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.57 5.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 127 K 8.98 4.80 0.00 1.42 1.59 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.22 7.81 128 R 8.83 3.69 0.00 1.91 2.10 0.00 3.06 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 129 I 6.97 3.16 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 0.91 0.00 0.00 130 P 0.00 3.60 0.00 2.06 1.57 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 131 G 9.11 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.56 4.58 0.00 1.89 1.66 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.37 7.81 133 S 8.26 4.71 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.21 4.66 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.62 5.15 0.00 3.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.68 4.49 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.91 0.00 0.00 137 I 8.53 4.97 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.99 0.75 0.00 0.00 138 K 8.90 4.83 0.00 1.40 1.59 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.27 7.81 139 C 8.97 4.66 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.90 4.36 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 141 K 8.56 4.05 0.00 1.79 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 142 L 7.74 3.95 0.00 1.59 1.64 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 M 7.71 3.85 0.00 1.94 1.67 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.21 0.00 144 R 7.77 3.89 0.00 2.02 1.95 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 145 D 7.88 4.35 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.76 4.13 0.00 1.92 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.70 7.81 147 L 8.07 4.06 0.00 1.79 1.73 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.30 4.20 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 149 R 8.52 4.48 0.00 1.86 1.72 0.00 3.13 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 150 G 8.59 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.67 4.61 0.00 1.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.86 0.00 152 V 8.60 3.83 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 153 E 8.71 4.33 0.00 1.98 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.